4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide

C11H13BrN4O — CID 63565030

IUPAC4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H13BrN4O/c1-2-5-16-7-8(12)6-9(16)10(17)15-11-13-3-4-14-11/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15,17)
InChIKeyKYJXIHQVQSTLAA-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.64
Rot. Bonds4

About 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 63565030) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
PubChem CID63565030
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H13BrN4O/c1-2-5-16-7-8(12)6-9(16)10(17)15-11-13-3-4-14-11/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15,17)
InChIKeyKYJXIHQVQSTLAA-UHFFFAOYSA-N
XLogP2.64
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide (CID 63565030) is 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is KYJXIHQVQSTLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-2-5-16-7-8(12)6-9(16)10(17)15-11-13-3-4-14-11/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 297.16 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 63565030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).